3-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 3-(homovanilloylamino)benzoic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C16H15NO5/c1-22-14-7-10(5-6-13(14)18)8-15(19)17-12-4-2-3-11(9-12)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)